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CHEBI:186457 - (3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA

ChEBI IDCHEBI:186457
ChEBI Name(3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62N7O18P3S
Net Charge0
Average Mass1017.923
Monoisotopic Mass1017.30849
SMILESCCCCC/C=C/C/C=C/CCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChIInChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-26,30-32,36,45,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b9-8+,12-11+
InChIKeyFODZOBVFWXSQFM-MVKOLZDDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA (CHEBI:186457) is a long-chain fatty acyl-CoA (CHEBI:33184)
IUPAC Name 
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (7E,10E)-3-hydroxyhexadeca-7,10-dienethioate